4-chloro-N,1-dimethylpyrazole-5-carboxamide

C6H8ClN3O — CID 17144538

IUPAC4-chloro-N,1-dimethylpyrazole-5-carboxamide
SMILESCNC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C6H8ClN3O/c1-8-6(11)5-4(7)3-9-10(5)2/h3H,1-2H3,(H,8,11)
InChIKeyNVLCZVHXPBAMAN-UHFFFAOYSA-N
MW173.60 g/mol
LogP0.43
Rot. Bonds1

About 4-chloro-N,1-dimethylpyrazole-5-carboxamide

4-chloro-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 17144538) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 4-chloro-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N,1-dimethylpyrazole-5-carboxamide
PubChem CID17144538
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name4-chloro-N,1-dimethylpyrazole-5-carboxamide
SMILESCNC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C6H8ClN3O/c1-8-6(11)5-4(7)3-9-10(5)2/h3H,1-2H3,(H,8,11)
InChIKeyNVLCZVHXPBAMAN-UHFFFAOYSA-N
XLogP0.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide
CID 19475778
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone
CID 83829041
1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-(methylamino)propan-1-one
CID 114669032
4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 6467156
4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 2164180
4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide
CID 19475780
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4771010
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide
CID 131940972
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethanone
CID 114642247
4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 19475994
ethyl 5-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19475977

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N,1-dimethylpyrazole-5-carboxamide (CID 17144538) is 4-chloro-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N,1-dimethylpyrazole-5-carboxamide is CNC(=O)c1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is NVLCZVHXPBAMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c1-8-6(11)5-4(7)3-9-10(5)2/h3H,1-2H3,(H,8,11).
What are the key properties of 4-chloro-N,1-dimethylpyrazole-5-carboxamide?
4-chloro-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 173.60 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 17144538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).